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4-Phenyl-8-acetylamino-1,2,3,4-tetrahydroisoquinoline

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4-Phenyl-8-acetylamino-1,2,3,4-tetrahydroisoquinoline
SpectraBase Compound ID 4p6GysLSw9s
InChI InChI=1S/C17H18N2O/c1-12(20)19-17-9-5-8-14-15(10-18-11-16(14)17)13-6-3-2-4-7-13/h2-9,15,18H,10-11H2,1H3,(H,19,20)
InChIKey IQPADOPTGRBYLJ-UHFFFAOYSA-N
Mol Weight 266.34 g/mol
Molecular Formula C17H18N2O
Exact Mass 266.141913 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IZjZQdzePei
Name 4-Phenyl-8-acetylamino-1,2,3,4-tetrahydroisoquinoline
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.141913207 u
Formula C17H18N2O
InChI InChI=1S/C17H18N2O/c1-12(20)19-17-9-5-8-14-15(10-18-11-16(14)17)13-6-3-2-4-7-13/h2-9,15,18H,10-11H2,1H3,(H,19,20)
InChIKey IQPADOPTGRBYLJ-UHFFFAOYSA-N
Molecular Weight 266.344 g/mol
SMILES C12=C(C(C=3C=CC=CC3)CNC1)C=CC=C2NC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947894